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{
"id": "jvasp-21974",
"created_at": "2022-09-04T14:37:35.047339Z",
"updated_at": "2022-09-04T14:37:35.047363Z",
"structure_string": "Rb2 Th1 F6\n1.0\n3.423156 -5.929081 0.000000\n3.423156 5.929081 -0.000000\n0.000000 0.000000 3.839451\nRb Th F\n2 1 6\ndirect\n0.333334 0.666668 0.500000 Rb\n0.666668 0.333334 0.500000 Rb\n0.000000 0.000000 0.000000 Th\n0.000000 0.221375 0.500000 F\n0.778626 0.778626 0.500000 F\n0.221375 0.000000 0.500000 F\n0.662507 0.000000 0.000000 F\n0.337494 0.337494 0.000000 F\n0.000000 0.662507 0.000000 F\n",
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{
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"structure_string": "Rb2 Te1 Se4\n1.0\n-0.014340 0.000000 -5.350807\n-4.922354 -4.310929 -2.464384\n-4.922354 4.310929 -2.464384\nRb Te Se\n2 1 4\ndirect\n0.336659 0.321292 0.321292 Rb\n0.663341 0.678707 0.678707 Rb\n0.000000 0.000000 0.000000 Te\n0.258465 0.325299 0.846594 Se\n0.258465 0.846594 0.325299 Se\n0.741535 0.674700 0.153406 Se\n0.741535 0.153406 0.674700 Se\n",
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"updated_at": "2022-09-04T14:36:32.001487Z",
"structure_string": "Rb2 Te2 Pt1\n1.0\n0.000000 0.000000 4.039238\n-5.348256 4.037567 2.019619\n-5.348256 -4.037567 2.019619\nRb Te Pt\n2 2 1\ndirect\n0.203898 0.296102 0.296102 Rb\n0.796102 0.703898 0.703898 Rb\n0.500000 0.218897 0.781103 Te\n0.500000 0.781103 0.218897 Te\n0.000000 0.000000 0.000000 Pt\n",
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"density": 5.913340386704147,
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"formula_full": "Rb2 Te2 Pt1",
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{
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"created_at": "2022-09-04T14:36:10.885747Z",
"updated_at": "2022-09-04T14:36:10.885767Z",
"structure_string": "Rb2 Te2 Pd1\n1.0\n0.000000 0.000000 4.067807\n-5.336376 4.040892 2.033904\n-5.336376 -4.040892 2.033904\nRb Te Pd\n2 2 1\ndirect\n0.200157 0.299843 0.299843 Rb\n0.799842 0.700158 0.700158 Rb\n0.499999 0.217998 0.782003 Te\n0.499999 0.782003 0.217998 Te\n0.000000 0.000000 0.000000 Pd\n",
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"spacegroup": 71
},
{
"id": "jvasp-31188",
"created_at": "2022-09-04T14:38:34.930432Z",
"updated_at": "2022-09-04T14:38:34.930459Z",
"structure_string": "Rb2 Te4 O12\n1.0\n7.416520 -0.000000 0.000000\n3.708260 6.422896 0.000000\n3.708260 2.140965 6.055564\nRb Te O\n2 4 12\ndirect\n0.375000 0.375001 0.375000 Rb\n0.625000 0.625001 0.625000 Rb\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n-0.000000 0.000000 0.500000 Te\n0.070410 0.070411 0.679589 O\n0.070410 0.679590 0.070410 O\n0.070410 0.679591 0.679589 O\n0.929589 0.320411 0.929589 O\n0.679590 0.070410 0.070410 O\n0.929590 0.320411 0.320410 O\n0.320410 0.929591 0.929589 O\n0.679590 0.679590 0.070410 O\n0.679590 0.070411 0.679589 O\n0.929589 0.929591 0.320410 O\n0.320410 0.320411 0.929589 O\n0.320410 0.929591 0.320410 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "O-Rb-Te",
"density": 5.027371978807379,
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"volume": 288.46004080949166,
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"formula_full": "Rb2 Te4 O12",
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{
"id": "jvasp-10226",
"created_at": "2022-09-04T14:37:33.674325Z",
"updated_at": "2022-09-04T14:37:33.674345Z",
"structure_string": "Rb4 Te2 O6\n1.0\n6.477551 0.000000 0.000000\n-3.238775 5.787403 -0.298978\n0.000000 -0.375996 7.470820\nRb Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.320788 0.641577 0.861747 Rb\n-0.000000 -0.000000 0.500000 Rb\n0.679211 0.358422 0.138253 Rb\n0.341828 0.683656 0.348795 Te\n0.658170 0.316342 0.651205 Te\n0.166520 0.780072 0.213624 O\n0.386448 0.219927 0.786376 O\n0.833478 0.219927 0.786376 O\n0.613550 0.780072 0.213624 O\n0.818113 0.636226 0.723503 O\n0.181886 0.363773 0.276497 O\n",
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"volume": 279.3394091903886,
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"formula_full": "Rb4 Te2 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
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{
"id": "jvasp-38285",
"created_at": "2022-09-04T14:37:54.668311Z",
"updated_at": "2022-09-04T14:37:54.668323Z",
"structure_string": "Rb1 Te1 O3\n1.0\n4.161307 0.000000 0.000000\n-0.000000 4.161307 -0.000000\n0.000000 -0.000000 4.161307\nRb Te O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-95386",
"created_at": "2022-09-04T14:35:42.114665Z",
"updated_at": "2022-09-04T14:35:42.114704Z",
"structure_string": "Rb12 Te4 O18\n1.0\n8.108549 -0.025343 -3.295481\n-1.816034 7.902609 -3.295481\n0.006766 0.008470 11.064184\nRb Te O\n12 4 18\ndirect\n0.704518 0.000686 0.969632 Rb\n0.299692 0.500990 0.024325 Rb\n0.499011 0.700309 0.475676 Rb\n0.905859 0.683529 0.763873 Rb\n0.316472 0.094142 0.736127 Rb\n0.094142 0.316471 0.236127 Rb\n0.683530 0.905858 0.263873 Rb\n-0.000686 0.295483 0.530368 Rb\n0.700309 0.499011 0.975676 Rb\n0.000687 0.704517 0.469632 Rb\n0.295483 -0.000686 0.030368 Rb\n0.500990 0.299692 0.524325 Rb\n0.854102 0.145899 0.750000 Te\n0.374254 0.625747 0.750000 Te\n0.625747 0.374253 0.250000 Te\n0.145899 0.854101 0.250000 Te\n0.776752 0.223248 0.250000 O\n0.371180 0.908502 0.286947 O\n0.261482 0.519092 0.539182 O\n0.519092 0.261482 0.039182 O\n0.738519 0.480909 0.460819 O\n0.331894 0.413344 0.755808 O\n0.586657 0.668107 0.744193 O\n0.668108 0.586657 0.244193 O\n0.413344 0.331893 0.255808 O\n0.114300 0.989492 0.409450 O\n0.010509 0.885701 0.090550 O\n0.885702 0.010509 0.590550 O\n0.989492 0.114299 0.909450 O\n0.908502 0.371180 0.786947 O\n0.628821 0.091499 0.713053 O\n0.091499 0.628821 0.213054 O\n0.480909 0.738519 0.960819 O\n0.223249 0.776752 0.750000 O\n",
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"formula_full": "Rb12 Te4 O18",
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{
"id": "jvasp-38297",
"created_at": "2022-09-04T14:37:50.166468Z",
"updated_at": "2022-09-04T14:37:50.166496Z",
"structure_string": "Rb2 Te6 Mo6\n1.0\n0.000000 9.910055 0.001075\n4.619385 0.000000 0.000000\n0.000000 -4.954170 -8.582796\nRb Te Mo\n2 6 6\ndirect\n0.666666 0.000000 0.333333 Rb\n0.333335 0.499999 0.666668 Rb\n0.643713 0.000000 0.700155 Te\n0.056444 0.000000 0.356286 Te\n0.299841 0.000000 0.943559 Te\n0.356283 0.499999 0.299840 Te\n0.700166 0.499999 0.056445 Te\n0.943555 0.499999 0.643719 Te\n0.166176 0.000000 0.139613 Mo\n0.860388 0.000000 0.026563 Mo\n0.973438 0.000000 0.833826 Mo\n0.833827 0.499999 0.860387 Mo\n0.026559 0.499999 0.166173 Mo\n0.139614 0.499999 0.973442 Mo\n",
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"volume": 392.8817184737298,
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{
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"created_at": "2022-09-04T14:38:47.365929Z",
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"structure_string": "Rb1 Te1 Mo1\n1.0\n3.029976 -0.000000 -0.000000\n0.000000 3.029976 0.000000\n0.000000 0.000000 9.281397\nRb Te Mo\n1 1 1\ndirect\n0.000000 0.000000 0.620334 Rb\n0.000000 0.000000 -0.009545 Te\n0.000000 0.000000 0.276311 Mo\n",
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},
{
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"created_at": "2022-09-04T14:37:06.992977Z",
"updated_at": "2022-09-04T14:37:06.993003Z",
"structure_string": "Rb4 Te2 I12\n1.0\n7.945247 -0.000000 0.000000\n0.000000 7.945247 0.000000\n0.000000 -0.000000 12.262731\nRb Te I\n4 2 12\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.794685 0.686337 0.000000 I\n0.294685 0.813663 0.500000 I\n0.705316 0.186337 0.500000 I\n0.313663 0.794685 0.000000 I\n0.686337 0.205316 0.000000 I\n0.000000 0.000000 0.756447 I\n0.500000 0.500000 0.743553 I\n0.813663 0.705316 0.500000 I\n0.500000 0.500000 0.256447 I\n0.000000 0.000000 0.243552 I\n0.205316 0.313663 0.000000 I\n0.186337 0.294685 0.500000 I\n",
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"formula_full": "Rb4 Te2 I12",
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{
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"created_at": "2022-09-04T14:36:20.326460Z",
"updated_at": "2022-09-04T14:36:20.326486Z",
"structure_string": "Rb2 Te1 Cl6\n1.0\n6.247943 0.000000 3.607251\n2.082647 5.890618 3.607251\n0.000000 0.000000 7.214503\nRb Te Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Te\n0.251436 0.748565 0.748564 Cl\n0.251436 0.748565 0.251435 Cl\n0.748564 0.251436 0.748564 Cl\n0.748564 0.251436 0.251436 Cl\n0.748564 0.748565 0.251435 Cl\n0.251436 0.251436 0.748564 Cl\n",
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],
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"formula_full": "Rb2 Te1 Cl6",
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}
]
}